SCHEMBL20694089

SCHEMBL20694089

CC(C)c1ccc2oc3nc(N)c(CS)cc3c(=O)c2c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.81
▸ IKBKE Q14164 10/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ TTR P02766 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ OPRD1 P41143 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ GPR35 Q9HC97 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19182273 0.89 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL20693662 0.85 TBK1 (0.69) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL20051914 0.84 TBK1 (0.71) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19204321 0.83 TBK1 (0.73) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6206524 0.80 TBK1 (0.65) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29381739 0.80 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL5058549 0.80 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29642 0.80 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29441547 0.80 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL2902814 0.79 TBK1 (0.98) TBK1IKBKEKDM4ENPC1ABCC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 — — US disclosed
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2021-03-11 — — US disclosed
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2019-01-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 TBK1 1168/4885IKBKE 2539/4885KDM4E 4390/4885
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 TBK1 1168/4885IKBKE 2539/4885KDM4E 4390/4885
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 TBK1 1168/4885IKBKE 2539/4885KDM4E 4390/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback